CID 233147

5-hydroxy-1-indanone

Structural Information

Molecular Formula

C₉H₈O₂

SMILES

C1CC(=O)C2=C1C=C(C=C2)O

InChI

InChI=1S/C9H8O2/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,10H,1,4H2

InChIKey

ZRKQOVXGDIZYDS-UHFFFAOYSA-N

Compound name

5-hydroxy-2,3-dihydroinden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 809
Patents: 148.05243 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	149.059706	126.7
[M+Na]+	171.041648	136.2
[M-H]-	147.045154	130.5
[M+NH4]+	166.086253	150.6
[M+K]+	187.015588	133.4
[M+H-H2O]+	131.049690	122.3
[M+HCOO]-	193.050631	149.7
[M+CH3COO]-	207.066281	171.8
[M+Na-2H]-	169.027096	133.0
[M]+	148.05188142	125.8
[M]-	148.05297858	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe